5JAR
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-06-17 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.767, 90.797, 51.348 |
| Unit cell angles | 90.00, 111.76, 90.00 |
Refinement procedure
| Resolution | 46.330 - 2.110 |
| R-factor | 0.147 |
| Rwork | 0.144 |
| R-free | 0.20400 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.980 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.330 |
| High resolution limit [Å] | 2.110 |
| Number of reflections | 23576 |
| <I/σ(I)> | 13.6 |
| Completeness [%] | 96.6 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 28.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7.4, 1.3M NaCl |
